1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea

C125H133N33O9 — CID 157301838

About 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea

1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea (PubChem CID 157301838) has the molecular formula C125H133N33O9 and a molecular weight of 2241.66 g/mol. Its IUPAC name is 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea
• PubChem CID: 157301838
• Molecular Formula: C125H133N33O9
• Molecular Weight: 2241.66 g/mol
• Exact Mass: 2240.10
• IUPAC Name: 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea
• SMILES: CN(C)CCCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cn1.CN(C)CCOc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cn1.COc1cc(OCCCN(C)C)nc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c12.O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3ccncc23)cc1.O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3cnccc23)cc1
• InChI: InChI=1S/C28H33N7O3.C27H31N7O2.C26H29N7O2.2C22H20N6O/c1-35(2)16-7-17-38-24-18-23(37-3)25-26(30-19-31-27(25)34-24)29-15-14-20-10-12-22(13-11-20)33-28(36)32-21-8-5-4-6-9-21;1-34(2)15-6-16-36-25-17-24-23(18-29-25)26(31-19-30-24)28-14-13-20-9-11-22(12-10-20)33-27(35)32-21-7-4-3-5-8-21;1-33(2)14-15-35-24-16-22-23(17-28-24)29-18-30-25(22)27-13-12-19-8-10-21(11-9-19)32-26(34)31-20-6-4-3-5-7-20;29-22(27-17-4-2-1-3-5-17)28-18-8-6-16(7-9-18)10-13-24-21-19-14-23-12-11-20(19)25-15-26-21;29-22(27-17-4-2-1-3-5-17)28-18-8-6-16(7-9-18)10-13-24-21-19-11-12-23-14-20(19)25-15-26-21/h4-6,8-13,18-19H,7,14-17H2,1-3H3,(H2,32,33,36)(H,29,30,31,34);3-5,7-12,17-19H,6,13-16H2,1-2H3,(H,28,30,31)(H2,32,33,35);3-11,16-18H,12-15H2,1-2H3,(H,27,29,30)(H2,31,32,34);2*1-9,11-12,14-15H,10,13H2,(H,24,25,26)(H2,27,28,29)
• InChIKey: BBZMVXXFNRSLQH-UHFFFAOYSA-N
• XLogP: 22.23
• TPSA: 505.79 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 32
• Rotatable Bonds: 45
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.66
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea?

The IUPAC name of 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea (CID 157301838) is 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea.

What is the SMILES notation for 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea?

The canonical SMILES for 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea is CN(C)CCCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cn1.CN(C)CCOc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cn1.COc1cc(OCCCN(C)C)nc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c12.O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3ccncc23)cc1.O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3cnccc23)cc1.

What is the InChIKey of 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea?

The InChIKey is BBZMVXXFNRSLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3.C27H31N7O2.C26H29N7O2.2C22H20N6O/c1-35(2)16-7-17-38-24-18-23(37-3)25-26(30-19-31-27(25)34-24)29-15-14-20-10-12-22(13-11-20)33-28(36)32-21-8-5-4-6-9-21;1-34(2)15-6-16-36-25-17-24-23(18-29-25)26(31-19-30-24)28-14-13-20-9-11-22(12-10-20)33-27(35)32-21-7-4-3-5-8-21;1-33(2)14-15-35-24-16-22-23(17-28-24)29-18-30-25(22)27-13-12-19-8-10-21(11-9-19)32-26(34)31-20-6-4-3-5-7-20;29-22(27-17-4-2-1-3-5-17)28-18-8-6-16(7-9-18)10-13-24-21-19-14-23-12-11-20(19)25-15-26-21;29-22(27-17-4-2-1-3-5-17)28-18-8-6-16(7-9-18)10-13-24-21-19-11-12-23-14-20(19)25-15-26-21/h4-6,8-13,18-19H,7,14-17H2,1-3H3,(H2,32,33,36)(H,29,30,31,34);3-5,7-12,17-19H,6,13-16H2,1-2H3,(H,28,30,31)(H2,32,33,35);3-11,16-18H,12-15H2,1-2H3,(H,27,29,30)(H2,31,32,34);2*1-9,11-12,14-15H,10,13H2,(H,24,25,26)(H2,27,28,29).

What are the key properties of 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea?

1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea has a molecular weight of 2241.66 g/mol, XLogP of 22.23, 45 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[[6-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]-5-methoxypyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[7-[3-(dimethylamino)propoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-phenyl-3-[4-[2-(pyrido[3,4-d]pyrimidin-4-ylamino)ethyl]phenyl]urea;1-phenyl-3-[4-[2-(pyrido[4,3-d]pyrimidin-4-ylamino)ethyl]phenyl]urea is sourced from PubChem (CID 157301838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).